1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone

C18H22O — CID 59686926

IUPAC1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
SMILESCC(=O)C12CC3CC(C1)C(Cc1ccccc1)C2C3
InChIInChI=1S/C18H22O/c1-12(19)18-10-14-7-15(11-18)16(17(18)9-14)8-13-5-3-2-4-6-13/h2-6,14-17H,7-11H2,1H3
InChIKeyYVMCGLKJYHKGAH-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.87
Rot. Bonds3

About 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone

1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone (PubChem CID 59686926) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone.

Molecular Properties

Compound Name1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
PubChem CID59686926
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
SMILESCC(=O)C12CC3CC(C1)C(Cc1ccccc1)C2C3
InChIInChI=1S/C18H22O/c1-12(19)18-10-14-7-15(11-18)16(17(18)9-14)8-13-5-3-2-4-6-13/h2-6,14-17H,7-11H2,1H3
InChIKeyYVMCGLKJYHKGAH-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The IUPAC name of 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone (CID 59686926) is 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone.
What is the SMILES notation for 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The canonical SMILES for 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone is CC(=O)C12CC3CC(C1)C(Cc1ccccc1)C2C3.
What is the InChIKey of 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The InChIKey is YVMCGLKJYHKGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-12(19)18-10-14-7-15(11-18)16(17(18)9-14)8-13-5-3-2-4-6-13/h2-6,14-17H,7-11H2,1H3.
What are the key properties of 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone is sourced from PubChem (CID 59686926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).